release 0.5.0 prep

[dotsdl]

• Update prod envs to use Python 3.11
• Update all envs to use gufe 1.0.0, openfe 1.0.1

[codecov-commenter]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 80.30%. Comparing base (5a32969) to head (842a9cc).

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #283      +/-   ##
==========================================
- Coverage   80.33%   80.30%   -0.03%     
==========================================
  Files          27       27              
  Lines        3452     3458       +6     
==========================================
+ Hits         2773     2777       +4     
- Misses        679      681       +2     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

[mikemhenry]

Don't forget to add curl to the env

[dotsdl]

Seeing no issues with Python 3.12 use in my live testing. @mikemhenry, @IAlibay, @j-wags can you remind me what reservations we had for using it?

I believe there might have been something related to ambertools?

[IAlibay]

I think it was ambertools / openmmforcefields but that's fixed now. At least OpenFE runs CI on 3.12 just fine.

Only dependency I'm not sure about is oechem, since we don't use it that much in our tests.

[dotsdl]

Okay cool, this is great news! I think we can proceed with Python 3.12 and see if we actually hit any issues from users.